Crystallography Open Database

Information card for entry 7702166

Preview

Coordinates	7702166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H28 F5 Mo N2 O7 P
Calculated formula	C37 H28 F5 Mo N2 O7 P
Title of publication	Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.
Authors of publication	Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	47
Journal issue	1
Pages of publication	197 - 208
a	10.1318 ± 0.0004 Å
b	13.3189 ± 0.0006 Å
c	13.8696 ± 0.0006 Å
α	88.538 ± 0.001°
β	84.417 ± 0.001°
γ	71.831 ± 0.001°
Cell volume	1769.85 ± 0.13 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235677 (current)	2019-11-23	cif/ Adding structures of 7702162, 7702163, 7702164, 7702165, 7702166 via cif-deposit CGI script.	7702166.cif